Base information
| Cat. No. | |
| CAS No. | 80945-81-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N4O2S |
| Molecular Weight | 210.213 |
| Exact Mass | 210.021 |
| XLogP3 | 2.1355 |
| Mr | 54.3251 |
| PSA | 128.23 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N/N=c/1\sc2c([nH]1)cccc2[N+](=O)[O-] |
